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January 28, 2026
C5H12
Datos Químicos de C5H12
ID
83
Molecular Formula
C5H12
Elemental Composition %
C: 29.4117647058824%
H: 70.5882352941177%
O: 0%
N: 0%
Weight
72.1503
Programa de Cálculo
G16
SMILES
CCC(C)C
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QWTDNUCVQCZILF-UHFFFAOYSA-N